BDBM269616 (1S,2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-1-hydroxy-2-propanesulfonamide, (1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-1-hydroxy-2-propanesulfonamide::US10058550, Example 130.0::US10058550, Example 131.0::US10058550, Example 132.0::US9845310, Example 132.0

SMILES: COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)n1-c1c(OC)cccc1OC

InChI Key: InChIKey=MIKXHKXUORHIOK-RBZFPXEDSA-N

Data: 6 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 269616   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Apelin receptor (Homo sapiens (Human))	BDBM269616 ((1S,2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-6.75,-5.72,;-7.52,-4.39,;-6.75,-3.05,;-7.52,-1.72,;-6.75,-.38,;-5.21,-.38,;-4.44,-1.72,;-5.21,-3.05,;-2.9,-1.72,;-2,-2.96,;-.53,-2.49,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.38,;2.13,1.72,;4.44,.38,;5.21,-.95,;5.21,1.72,;6.75,1.72,;7.52,3.05,;6.75,4.39,;7.52,5.72,;5.21,4.39,;4.44,3.05,;-2,-.47,;-2.4,1.01,;-1.31,2.1,;.18,1.71,;1.27,2.79,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,)| Show InChI InChI=1S/C23H24FN7O6S/c1-13(20(32)21-25-11-14(24)12-26-21)38(33,34)30-23-29-28-22(15-7-5-10-18(27-15)37-4)31(23)19-16(35-2)8-6-9-17(19)36-3/h5-13,20,32H,1-4H3,(H,29,30)/t13-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.460	n/a	n/a	7.5	n/a
AMGEN INC. US Patent					Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si...				US Patent US10058550 (2018) BindingDB Entry DOI: 10.7270/Q26T0PP0
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM269616 ((1S,2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-6.75,-5.72,;-7.52,-4.39,;-6.75,-3.05,;-7.52,-1.72,;-6.75,-.38,;-5.21,-.38,;-4.44,-1.72,;-5.21,-3.05,;-2.9,-1.72,;-2,-2.96,;-.53,-2.49,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.38,;2.13,1.72,;4.44,.38,;5.21,-.95,;5.21,1.72,;6.75,1.72,;7.52,3.05,;6.75,4.39,;7.52,5.72,;5.21,4.39,;4.44,3.05,;-2,-.47,;-2.4,1.01,;-1.31,2.1,;.18,1.71,;1.27,2.79,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,)| Show InChI InChI=1S/C23H24FN7O6S/c1-13(20(32)21-25-11-14(24)12-26-21)38(33,34)30-23-29-28-22(15-7-5-10-18(27-15)37-4)31(23)19-16(35-2)8-6-9-17(19)36-3/h5-13,20,32H,1-4H3,(H,29,30)/t13-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.30	n/a	n/a	7.5	n/a
AMGEN INC. US Patent					Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si...				US Patent US10058550 (2018) BindingDB Entry DOI: 10.7270/Q26T0PP0
					More data for this Ligand-Target Pair
Apelin receptor (APJ) (Homo sapiens (Human))	BDBM269616 ((1S,2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-6.75,-5.72,;-7.52,-4.39,;-6.75,-3.05,;-7.52,-1.72,;-6.75,-.38,;-5.21,-.38,;-4.44,-1.72,;-5.21,-3.05,;-2.9,-1.72,;-2,-2.96,;-.53,-2.49,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.38,;2.13,1.72,;4.44,.38,;5.21,-.95,;5.21,1.72,;6.75,1.72,;7.52,3.05,;6.75,4.39,;7.52,5.72,;5.21,4.39,;4.44,3.05,;-2,-.47,;-2.4,1.01,;-1.31,2.1,;.18,1.71,;1.27,2.79,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,)| Show InChI InChI=1S/C23H24FN7O6S/c1-13(20(32)21-25-11-14(24)12-26-21)38(33,34)30-23-29-28-22(15-7-5-10-18(27-15)37-4)31(23)19-16(35-2)8-6-9-17(19)36-3/h5-13,20,32H,1-4H3,(H,29,30)/t13-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.25	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig...				US Patent US9845310 (2017) BindingDB Entry DOI: 10.7270/Q28P62TV
					More data for this Ligand-Target Pair
Apelin receptor (APJ) (Homo sapiens (Human))	BDBM269616 ((1S,2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-6.75,-5.72,;-7.52,-4.39,;-6.75,-3.05,;-7.52,-1.72,;-6.75,-.38,;-5.21,-.38,;-4.44,-1.72,;-5.21,-3.05,;-2.9,-1.72,;-2,-2.96,;-.53,-2.49,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.38,;2.13,1.72,;4.44,.38,;5.21,-.95,;5.21,1.72,;6.75,1.72,;7.52,3.05,;6.75,4.39,;7.52,5.72,;5.21,4.39,;4.44,3.05,;-2,-.47,;-2.4,1.01,;-1.31,2.1,;.18,1.71,;1.27,2.79,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,)| Show InChI InChI=1S/C23H24FN7O6S/c1-13(20(32)21-25-11-14(24)12-26-21)38(33,34)30-23-29-28-22(15-7-5-10-18(27-15)37-4)31(23)19-16(35-2)8-6-9-17(19)36-3/h5-13,20,32H,1-4H3,(H,29,30)/t13-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.460	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig...				US Patent US9845310 (2017) BindingDB Entry DOI: 10.7270/Q28P62TV
					More data for this Ligand-Target Pair
Apelin receptor (APJ) (Homo sapiens (Human))	BDBM269616 ((1S,2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-6.75,-5.72,;-7.52,-4.39,;-6.75,-3.05,;-7.52,-1.72,;-6.75,-.38,;-5.21,-.38,;-4.44,-1.72,;-5.21,-3.05,;-2.9,-1.72,;-2,-2.96,;-.53,-2.49,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.38,;2.13,1.72,;4.44,.38,;5.21,-.95,;5.21,1.72,;6.75,1.72,;7.52,3.05,;6.75,4.39,;7.52,5.72,;5.21,4.39,;4.44,3.05,;-2,-.47,;-2.4,1.01,;-1.31,2.1,;.18,1.71,;1.27,2.79,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,)| Show InChI InChI=1S/C23H24FN7O6S/c1-13(20(32)21-25-11-14(24)12-26-21)38(33,34)30-23-29-28-22(15-7-5-10-18(27-15)37-4)31(23)19-16(35-2)8-6-9-17(19)36-3/h5-13,20,32H,1-4H3,(H,29,30)/t13-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig...				US Patent US9845310 (2017) BindingDB Entry DOI: 10.7270/Q28P62TV
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM269616 ((1S,2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-6.75,-5.72,;-7.52,-4.39,;-6.75,-3.05,;-7.52,-1.72,;-6.75,-.38,;-5.21,-.38,;-4.44,-1.72,;-5.21,-3.05,;-2.9,-1.72,;-2,-2.96,;-.53,-2.49,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.38,;2.13,1.72,;4.44,.38,;5.21,-.95,;5.21,1.72,;6.75,1.72,;7.52,3.05,;6.75,4.39,;7.52,5.72,;5.21,4.39,;4.44,3.05,;-2,-.47,;-2.4,1.01,;-1.31,2.1,;.18,1.71,;1.27,2.79,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,)| Show InChI InChI=1S/C23H24FN7O6S/c1-13(20(32)21-25-11-14(24)12-26-21)38(33,34)30-23-29-28-22(15-7-5-10-18(27-15)37-4)31(23)19-16(35-2)8-6-9-17(19)36-3/h5-13,20,32H,1-4H3,(H,29,30)/t13-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.25	n/a	n/a	7.5	n/a
AMGEN INC. US Patent					Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si...				US Patent US10058550 (2018) BindingDB Entry DOI: 10.7270/Q26T0PP0
					More data for this Ligand-Target Pair